A multi-task deep learning neural network for predicting flammability-related properties from molecular structures
Ao Yang, Yang Su, Zihao Wang, Saimeng Jin, Jingzheng Ren, Xiangping Zhang, Weifeng Shen, James H. Clark
Abstract
It is significant that hazardous properties of chemicals including replacements for banned or restricted products are assessed at an early stage of product and process design.
Topics & Concepts
FlammabilityTask (project management)Hazardous wasteArtificial neural networkProcess (computing)Product (mathematics)Computer scienceArtificial intelligenceProcess engineeringBiochemical engineeringMachine learningEngineeringChemistrySystems engineeringWaste managementOrganic chemistryMathematicsGeometryOperating systemThermal and Kinetic AnalysisRisk and Safety AnalysisComputational Drug Discovery Methods